General Information of the Compound
| Compound ID |
CP0484344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]indol-3-yl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C28H37N3O3
|
||||||||||||||||||
| Molecular Weight |
463.622
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCn2cc(CCCC(O)=O)c3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N3O3/c1-34-27-14-6-5-13-26(27)30-20-18-29(19-21-30)16-7-2-8-17-31-22-23(10-9-15-28(32)33)24-11-3-4-12-25(24)31/h3-6,11-14,22H,2,7-10,15-21H2,1H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
COCNNTPCKDDPMD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor